1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine

C12H13Cl2NO — CID 65440191

IUPAC1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-3-9(15-2)10-6-7-4-5-8(13)11(14)12(7)16-10/h4-6,9,15H,3H2,1-2H3
InChIKeyKFUMCRRPMFDTIM-UHFFFAOYSA-N
MW258.15 g/mol
LogP4.41
Rot. Bonds3

About 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine

1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine (PubChem CID 65440191) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
PubChem CID65440191
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-3-9(15-2)10-6-7-4-5-8(13)11(14)12(7)16-10/h4-6,9,15H,3H2,1-2H3
InChIKeyKFUMCRRPMFDTIM-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 116690943
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440530
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65426506
6,7-dichloro-2-methyl-1-benzofuran
CID 102472280

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine (CID 65440191) is 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine is CCC(NC)c1cc2ccc(Cl)c(Cl)c2o1.
What is the InChIKey of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The InChIKey is KFUMCRRPMFDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-3-9(15-2)10-6-7-4-5-8(13)11(14)12(7)16-10/h4-6,9,15H,3H2,1-2H3.
What are the key properties of 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine has a molecular weight of 258.15 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 65440191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).